SCHEMBL24851918

SCHEMBL24851918

CC1(c2nnc(Cc3cc4ccccc4[nH]c3=O)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL4I1 Q96RQ9 6/20 0.46
▸ KDM4E B2RXH2 8/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALOX5 P09917 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24851908 0.84 IL4I1 (0.43) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24852507 0.81 IL4I1 (0.51) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24851962 0.81 IL4I1 (0.51) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24851920 0.77 IL4I1 (0.47) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24852008 0.76 GUSB (0.51) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24852000 0.76 EGFR (0.55) IL4I1HSD17B10ALDH1A1HPGDTSHR
SCHEMBL24851922 0.76 IL4I1 (0.44) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24851999 0.75 GUSB (0.56) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24851925 0.75 IL4I1 (0.46) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1
SCHEMBL24852501 0.74 IL4I1 (0.56) IL4I1KDM4ECYP1A2HSD17B10ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 — — WO disclosed
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